1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(allylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-phenyl-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(allylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(=C(C1=CC=CC=C1)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)C(=C(C1=CC=CC=C1)[O-])[N+]2=CC=CC=C2

InChI

InChI=1S/C17H16N2OS/c1-2-11-18-17(21)15(19-12-7-4-8-13-19)16(20)14-9-5-3-6-10-14/h2-10,12-13H,1,11H2,(H-,18,20,21)